2-[2,6-dimethyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyethanoic acid

Systemtic Name: 2-[2,6-dimethyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyethanoic acid Openeye Name: 2-(7-benzyl-2,6-dimethyl-5-oxamoyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid CAS Name: 2-[[2,6-dimethyl-5-oxamoyl-7-(phenylmethyl)-4-pyrrolo[1,2-b]pyridazinyl]oxy]acetic acid IUPAC Name: 2-(7-benzyl-2,6-dimethyl-5-oxamoylpyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid Traditional Name: 2-(7-benzyl-2,6-dimethyl-5-oxamoyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(C(=C2C(=C1)OCC(=O)O)C(=O)C(=O)N)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN2C(=C(C(=C2C(=C1)OCC(=O)O)C(=O)C(=O)N)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5/c1-11-8-15(28-10-16(24)25)18-17(19(26)20(21)27)12(2)14(23(18)22-11)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H2,21,27)(H,24,25)